Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P11509 | Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ... | Cytochrome P450 family | CYP2A6 | 1548; | Homo sapiens (Human) | 0.00117025 | 1 |
P19634 | Sodium/hydrogen exchanger 1 (APNH) (Na(+)/H(+) antiporter, amiloride-sensitive) (Na(+)/H(+) exchanger 1) ... | Monovalent cation:proton antiporter 1 (CPA1) transporter (TC 2.A.36) family | SLC9A1 | 6548; | Homo sapiens (Human) | 0.00103481 | 2 | |
P05181 | Cytochrome P450 2E1 (EC 1.14.13.-) (4-nitrophenol 2-hydroxylase) (EC 1.14.13.n7) (CYPIIE1) ... | Cytochrome P450 family | CYP2E1 | 1571; | Homo sapiens (Human) | 0.000931159 | 3 | |
P60568 | Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin) | IL-2 family | IL2 | 3558; | Homo sapiens (Human) | 0.00072577 | 4 | |
Q92830 | Histone acetyltransferase KAT2A (EC 2.3.1.48) (General control of amino acid ... | Acetyltransferase family, GCN5 subfamily | KAT2A | 2648; | Homo sapiens (Human) | 0.00069091 | 5 | |
P20813 | Cytochrome P450 2B6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIB6) (Cytochrome P450 ... | Cytochrome P450 family | CYP2B6 | 1555; | Homo sapiens (Human) | 0.00058716 | 6 | |
P36888 | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ... | Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily | FLT3 | 2322; | Homo sapiens (Human) | 0.000565137 | 7 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.000561688 | 8 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.000488237 | 9 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000454525 | 10 | |
[2] UntitledOriginal SMILES: Prepared SMILES: | P21397 | Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ... | Flavin monoamine oxidase family | MAOA | 4128; | Homo sapiens (Human) | 0.000574269 | 1 |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.000507427 | 2 | |
P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 0.000412236 | 3 | ||
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000404974 | 4 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.000390043 | 5 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.000367536 | 6 | |
P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.000364642 | 7 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.000352869 | 8 | |
P04150 | Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | NR3C1 | 2908; | Homo sapiens (Human) | 0.000350321 | 9 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.000343099 | 10 | |
[3] UntitledOriginal SMILES: Prepared SMILES: | Q04609 | Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ... | Peptidase M28 family, M28B subfamily | FOLH1 | 2346; | Homo sapiens (Human) | 0.000340635 | 1 |
P35372 | Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ... | G-protein coupled receptor 1 family | OPRM1 | 4988; | Homo sapiens (Human) | 0.000334213 | 2 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 0.000317105 | 3 | |
P09960 | Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) | Peptidase M1 family | LTA4H | 4048; | Homo sapiens (Human) | 0.000300952 | 4 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 0.000298644 | 5 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.000293063 | 6 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000287164 | 7 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 0.000286094 | 8 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.000285267 | 9 | |
P35228 | Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ... | NOS family | NOS2 | 4843; | Homo sapiens (Human) | 0.000285246 | 10 | |
[4] UntitledOriginal SMILES: Prepared SMILES: | Q9NQS5 | G-protein coupled receptor 84 (Inflammation-related G-protein coupled receptor EX33) | G-protein coupled receptor 1 family | GPR84 | 53831; | Homo sapiens (Human) | 0.0441224 | Known |
O14842 | Free fatty acid receptor 1 (G-protein coupled receptor 40) | G-protein coupled receptor 1 family | FFAR1 | 2864; | Homo sapiens (Human) | 0.0167666 | Known | |
Q5NUL3 | Free fatty acid receptor 4 (G-protein coupled receptor 120) (G-protein ... | G-protein coupled receptor 1 family | FFAR4 | 338557; | Homo sapiens (Human) | 0.0135321 | 1 | |
Q2M385 | Macrophage-expressed gene 1 protein (Macrophage gene 1 protein) (Mpg-1) | MPEG1 | 219972; | Homo sapiens (Human) | 0.00431751 | 2 | ||
Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ... | Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily | EHMT2 | 10919; | Homo sapiens (Human) | 0.00301447 | 3 | |
Q07869 | Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARA | 5465; | Homo sapiens (Human) | 0.00242902 | 4 | |
P05413 | Fatty acid-binding protein, heart (Fatty acid-binding protein 3) (Heart-type fatty ... | Calycin superfamily, Fatty-acid binding protein (FABP) family | FABP3 | 2170; | Homo sapiens (Human) | 0.00231178 | 5 | |
P39877 | Calcium-dependent phospholipase A2 (EC 3.1.1.4) (Group V phospholipase A2) (PLA2-10) ... | Phospholipase A2 family | PLA2G5 | 5322; | Homo sapiens (Human) | 0.00215337 | 6 | |
P37231 | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARG | 5468; | Homo sapiens (Human) | 0.00213973 | 7 | |
P14555 | Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ... | Phospholipase A2 family | PLA2G2A | 5320; | Homo sapiens (Human) | 0.00200691 | 8 | |
Q01469 | Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ... | Calycin superfamily, Fatty-acid binding protein (FABP) family | FABP5 | 2171; | Homo sapiens (Human) | 0.00200017 | 9 | |
P15090 | Fatty acid-binding protein, adipocyte (Adipocyte lipid-binding protein) (ALBP) (Adipocyte-type fatty ... | Calycin superfamily, Fatty-acid binding protein (FABP) family | FABP4 | 2167; | Homo sapiens (Human) | 0.00199731 | 10 | |
[5] UntitledOriginal SMILES: Prepared SMILES: | P19320 | Vascular cell adhesion protein 1 (V-CAM 1) (VCAM-1) (INCAM-100) (CD ... | VCAM1 | 7412; | Homo sapiens (Human) | 0.000581796 | 1 | |
Q6ZMT4 | Lysine-specific demethylase 7A (EC 1.14.11.-) (JmjC domain-containing histone demethylation protein ... | JHDM1 histone demethylase family, JHDM1D subfamily | KDM7A | 80853; | Homo sapiens (Human) | 0.000406114 | 2 | |
Q9BXA5 | Succinate receptor 1 (G-protein coupled receptor 91) (P2Y purinoceptor 1-like) | G-protein coupled receptor 1 family | SUCNR1 | 56670; | Homo sapiens (Human) | 0.000362033 | 3 | |
Q04609 | Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ... | Peptidase M28 family, M28B subfamily | FOLH1 | 2346; | Homo sapiens (Human) | 0.000358383 | 4 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.000333008 | 5 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.000325792 | 6 | |
P04035 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34) | HMG-CoA reductase family | HMGCR | 3156; | Homo sapiens (Human) | 0.000323268 | 7 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000316476 | 8 | |
P53396 | ATP-citrate synthase (EC 2.3.3.8) (ATP-citrate (pro-S-)-lyase) (ACL) (Citrate cleavage enzyme) | Succinate/malate CoA ligase beta subunit family; Succinate/malate CoA ligase alpha ... | ACLY | 47; | Homo sapiens (Human) | 0.000312864 | 9 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.000305167 | 10 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1841 | 2021-09-27 16:02:47 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Klekota-Roth (KR) | α = 0.4, β = 0.3, γ = -0.6, k = 4, Top 10 |